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Details Ibuprofen

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Role Reference Substance
nameIbuprofen
MPIMP IDR002527
stereoisomer 
isotopomerambient
formulaC13H18O2
molecular mass206.281
monoisotopic mass206.13068
InChIInChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyHEFNNWSXXWATRW-UHFFFAOYSA-N
supplierSigma
supplier codeI4883
lot 
purity 
solubility 
general 
amount 
amount unit 
store temperature 1 
store temperature 2 
store dry 
store under argon 
store in dark 
contributing authorKusano, RIKEN Plant Service Center, Metabolome Analysis Research Team, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa, 230-0045, JAPAN
date of order 
date in 
date out 
date expired 
box number 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%2704994063-67d1-4786-9bc7-8a6bf19f6b8d%27)

Synonyms of Ibuprofen

propertyvalue
CAS15687-27-1
ChEBI IDChEBI:5855
ChEBI ontologyhas functional parent propionic acid
ChEBI ontologyhas role antipyretic
ChEBI ontologyhas role cyclooxygenase 1 inhibitor
ChEBI ontologyhas role cyclooxygenase 2 inhibitor
ChEBI ontologyhas role non-narcotic analgesic
ChEBI ontologyhas role non-steroidal anti-inflammatory drug
ChEBI ontologyis a monocarboxylic acid
ChemSpider ID3544
68 synonym(s)
    of 7    

Metabolites mapped to Ibuprofen

Replica of Ibuprofen

reference substancesuppliersupplier codelot
No Reference substances found!
compound timestamp information
deposited at 9/14/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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